SCHEMBL1797018

SCHEMBL1797018

C[N+](C)(C)CCOc1ccc2c(=O)c3cc(OCC[N+](C)(C)C)ccc3oc2c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TERT O14746 1/20 0.56
▸ XDH P47989 5/20 0.54
▸ NPC1 O15118 2/20 0.53
▸ RAB9A P51151 2/20 0.53
▸ KDM4E B2RXH2 1/20 0.53
▸ ALDH1A1 P00352 1/20 0.53
▸ MAPT P10636 1/20 0.53
▸ HPGD P15428 1/20 0.53
▸ CASP3 P42574 1/20 0.53
▸ SMN1; SMN2 Q16637 1/20 0.53
▸ SENP8 Q96LD8 1/20 0.53
▸ SENP7 Q9BQF6 1/20 0.53
▸ SENP6 Q9GZR1 1/20 0.53
▸ ACSL1 P33121 2/20 0.52
▸ ACSL6 Q9UKU0 2/20 0.52
▸ MAOA P21397 2/20 0.50
▸ BCHE P06276 2/20 0.50
▸ ACHE P22303 2/20 0.50
▸ MAOB P27338 5/20 0.49
▸ HRH3 Q9Y5N1 5/20 0.49

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL1796578 0.95 ACSL1 (0.56) TERTXDHNPC1RAB9AKDM4E
SCHEMBL1798475 0.94 NPC1 (0.58) TERTXDHNPC1RAB9AKDM4E
SCHEMBL1798153 0.94 TERT (0.61) TERTXDHNPC1RAB9AMAOA
SCHEMBL1796199 0.89 XDH (0.56) TERTXDHBCHEACHE
SCHEMBL1793335 0.89 ACSL1 (0.57) TERTXDHNPC1RAB9AKDM4E
SCHEMBL1799359 0.88 TERT (0.54) TERTXDHNPC1KDM4EALDH1A1
SCHEMBL1795641 0.85 LMNA (0.49) TERTNPC1RAB9AKDM4EALDH1A1
SCHEMBL1793457 0.85 TERT (0.59) TERTXDHRAB9AKDM4EALDH1A1
SCHEMBL1796330 0.83 TERT (0.49) TERTXDHACSL1ACSL6MAOA
SCHEMBL15759330 0.83 ACSL1 (0.54) XDHNPC1RAB9AKDM4EALDH1A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2258682-A2 Amino-substituted tricyclic derivatives and methods of use Abbott Laboratories (US) 2010-12-08 — — EP claimed
US-20080161281-A1 Amino-Substituted Tricyclic Derivatives and Methods of Use ABBOTT LABORATORIES (US) 2008-07-03 — — US claimed
US-20050234031-A1 Amino-substituted tricyclic derivatives and methods of use ABBVIE INC. 2005-10-20 — — US claimed
US-20050171079-A1 Amino-substituted tricyclic derivatives and methods of use SCHRIMPF MICHAEL R (US) 2005-08-04 — — US claimed
US-7951791-B2 e.g. 2,7-bis-[(3R)-1-azabicyclo[2.2.2]octan-3-yloxy]-fluoren-9-one; alpha 7 Nicotinic acetylcholine receptors ligands; cognitive disorder, neurodegeneration, and neurodevelopmental disorders ABBOTT LABORATORIES (US) 2011-05-31 — — US disclosed
EP-2258682-A2 Amino-substituted tricyclic derivatives and methods of use Abbott Laboratories (US) 2010-12-08 — — EP disclosed
US-20080161281-A1 Amino-Substituted Tricyclic Derivatives and Methods of Use ABBOTT LABORATORIES (US) 2008-07-03 — — US disclosed
US-7365193-B2 Amino-substituted tricyclic derivatives and methods of use ABBOTT LABORATORIES (US) 2008-04-29 — — US disclosed
US-20050234031-A1 Amino-substituted tricyclic derivatives and methods of use ABBVIE INC. 2005-10-20 — — US disclosed
US-20050171079-A1 Amino-substituted tricyclic derivatives and methods of use SCHRIMPF MICHAEL R (US) 2005-08-04 — — US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20050234031-A1 Amino-substituted tricyclic derivatives and methods of use CHRNA1, CHRM1, GALR1 TERT 3827/4885XDH 49/4885NPC1 927/4885
US-20080161281-A1 Amino-Substituted Tricyclic Derivatives and Methods of Use CHRNA1, CHRM1, CHRNB1 TERT 3922/4885XDH 49/4885NPC1 1584/4885
US-20050171079-A1 Amino-substituted tricyclic derivatives and methods of use CHRM1, CHRM3, CHRNA1 TERT 4040/4885XDH 242/4885NPC1 1148/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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